Glycoside
GD034151
Name:
NoneFormula:
C58H86O16N4Smiles:
CC(=O)c1ccc(-n2cc(CNC(=O)[C@@]34CCC(C)(C)C[C@H]3C3=CC[C@@H]5[C@]6(C)CC[C@H](O[C@@H]7OC[C@H](O[C@@H]8O[C@H](CO)[C@H](O)[C@H](O)[C@H]8O)[C@H](O)[C@H]7O[C@@H]7O[C@H](C)[C@H](O)[C@H](O)[C@H]7O)C(C)(C)[C@H]6CC[C@@]5(C)[C@@]3(C)CC4)nn2)cc1Aglycone:
CC(=O)c1ccc(-n2cc(CNC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)cc1Sugarmoiety:
CC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 10 |
| HBD: | 9 | FractionCSP3: | 0.79 |
| AlogP: | 3.39 | Num_rotatable_bonds: | 12 |
| MolWt: | 1095.34 | Num_heavy_atoms: | 78 |
| TPSA: | 294.1 | NumAromaticRings: | 2 |
Unique Aglycone
AD21740
Formula: C41H58O3N4
Smiles:
CC(=O)c1ccc(-n2cc(CNC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(O)C(C)(C)C6CCC5(C)C3(C)CC4)nn2)cc1| HBA: | 7 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 8.25 | Num_rotatable_bonds: | 5 |
| MolWt: | 654.94 | Num_heavy_atoms: | 48 |
| TPSA: | 97.11 | NumAromaticRings: | 2 |
